cyclopenten-1-yl 2,2-dimethylpropanoate

C10H16O2 — CID 54506131

IUPACcyclopenten-1-yl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1=CCCC1
InChIInChI=1S/C10H16O2/c1-10(2,3)9(11)12-8-6-4-5-7-8/h6H,4-5,7H2,1-3H3
InChIKeyYFVNCDRZGRHAMQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.64
Rot. Bonds1

About cyclopenten-1-yl 2,2-dimethylpropanoate

cyclopenten-1-yl 2,2-dimethylpropanoate (PubChem CID 54506131) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is cyclopenten-1-yl 2,2-dimethylpropanoate.

Molecular Properties

Compound Namecyclopenten-1-yl 2,2-dimethylpropanoate
PubChem CID54506131
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namecyclopenten-1-yl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1=CCCC1
InChIInChI=1S/C10H16O2/c1-10(2,3)9(11)12-8-6-4-5-7-8/h6H,4-5,7H2,1-3H3
InChIKeyYFVNCDRZGRHAMQ-UHFFFAOYSA-N
XLogP2.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl 2,2-dimethylpropanoate?
The IUPAC name of cyclopenten-1-yl 2,2-dimethylpropanoate (CID 54506131) is cyclopenten-1-yl 2,2-dimethylpropanoate.
What is the SMILES notation for cyclopenten-1-yl 2,2-dimethylpropanoate?
The canonical SMILES for cyclopenten-1-yl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC1=CCCC1.
What is the InChIKey of cyclopenten-1-yl 2,2-dimethylpropanoate?
The InChIKey is YFVNCDRZGRHAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-10(2,3)9(11)12-8-6-4-5-7-8/h6H,4-5,7H2,1-3H3.
What are the key properties of cyclopenten-1-yl 2,2-dimethylpropanoate?
cyclopenten-1-yl 2,2-dimethylpropanoate has a molecular weight of 168.24 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl 2,2-dimethylpropanoate is sourced from PubChem (CID 54506131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).